Constructing a 3D Structure Database of Diterpenoids Produced from Formosa Soft Corals

• Main Authors: Guan-syuan Huang, 黃冠瑄
• Other Authors: Chan-Shing Lin
• Format: Others
• Language: zh-TW
• Published: 2010
• Online Access: http://ndltd.ncl.edu.tw/handle/99906696170653657914

碩士 === 國立中山大學 === 海洋生物科技暨資源學系研究所 === 98 === In recent years, marine natural products in drug development increasingly wide range of applications. Both Taiwan''s geographical location and climate are creating a rich marine biodiversity. Hence there is needed to construct a marine natural product database which with Taiwan features. The goal of this study is to establish a Taiwan''s marine natural product database, with preliminary collected Formosan soft coral diterpenoids natural products from Taiwan for drug development features. The database included normal physical and chemical properties of compounds and biological activity assay from literature. Key project for the database is to construct three-dimensional structure information for marine natural products. In this study, it was to build and to check the correct three-dimensional structure by use of computer simulation study comparing with nuclear magnetic resonance (NMR) spectroscopy information from literature. The identification of the folding errors in three-dimensional structure of various compound skeleton types by computer was also discussed. And there was also discussed the relationship between potential energy and three-dimensional structure of compounds by compare with computer simulated structure and NMR structure.